N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine

C14H19N3O2S — CID 114984120

IUPACN-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)c1cccc2nccnc12
InChIInChI=1S/C14H19N3O2S/c1-3-15-12(7-10-20(2,18)19)11-5-4-6-13-14(11)17-9-8-16-13/h4-6,8-9,12,15H,3,7,10H2,1-2H3
InChIKeyANDBFPCVXQDSLY-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.72
Rot. Bonds6

About N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine

N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine (PubChem CID 114984120) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine
PubChem CID114984120
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)c1cccc2nccnc12
InChIInChI=1S/C14H19N3O2S/c1-3-15-12(7-10-20(2,18)19)11-5-4-6-13-14(11)17-9-8-16-13/h4-6,8-9,12,15H,3,7,10H2,1-2H3
InChIKeyANDBFPCVXQDSLY-UHFFFAOYSA-N
XLogP1.72
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984281
N-ethyl-1-quinoxalin-5-ylheptan-1-amine
CID 105125906
N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine
CID 105077278
4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol
CID 105082611
N-ethyl-3-methyl-1-quinoxalin-5-ylpentan-1-amine
CID 105138311
N-ethyl-2-pyridin-2-yl-1-quinoxalin-5-ylethanamine
CID 105157998
N-propyl-1-quinoxalin-5-ylhexan-1-amine
CID 105129498
N-ethyl-2-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylethanamine
CID 105167077
4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine
CID 105156277
N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine
CID 115530771
1-(2,3-dimethylphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820292
N-methyl-1-quinoxalin-5-ylheptan-1-amine
CID 105126260

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine?
The IUPAC name of N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine (CID 114984120) is N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine?
The canonical SMILES for N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine is CCNC(CCS(C)(=O)=O)c1cccc2nccnc12.
What is the InChIKey of N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine?
The InChIKey is ANDBFPCVXQDSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-15-12(7-10-20(2,18)19)11-5-4-6-13-14(11)17-9-8-16-13/h4-6,8-9,12,15H,3,7,10H2,1-2H3.
What are the key properties of N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine?
N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine has a molecular weight of 293.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine is sourced from PubChem (CID 114984120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).